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8.12382

Titanium(IV) chloride

Name: Titanium(IV) chloride
Brand: MM

for synthesis

别名:

Titanium(IV) chloride, Titanium tetrachloride

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关于此项目

经验公式（希尔记法）:

Cl₄Ti

化学文摘社编号:

7550-45-0

分子量:

189.68

UNSPSC Code:

12352302

EC Index Number:

231-441-9

NACRES:

NA.22

MDL number:

MFCD00011267

Grade:

synthesis grade

Form:

liquid

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属性

grade

synthesis grade

Quality Level

200

vapor pressure

12 hPa ( 20 °C)

form

liquid

potency

3160 mg/kg LD₅₀, skin (Rabbit)

bp

136 °C/1013 hPa

mp

-24 °C

density

1.728 g/cm³ at 20 °C

storage temp.

2-30°C

SMILES string

[Ti+4].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4

InChI key

XJDNKRIXUMDJCW-UHFFFAOYSA-J

说明

Application

Titanium(IV) chloride can be used as a Lewis acid catalyst:

In the ortho acylation of aryl alcohols to synthesize corresponding ortho C-acylated products.
To synthesize various chlorinated compounds via Baylis−Hillman reaction reactions of aryl aldehydes with methyl vinyl ketone in the presence of Lewis base.
To prepare 3,4-dihydropyrimidin-2(1H)-ones and thiones by Biginelli condensation reaction of aldehyde, 1,3-dicarbonyl compound, and urea or thiourea.
In the hydrodefluorination reaction in the presence of triethylsilane as the reducing agent.

Analysis Note

Assay (argentometric): ≥ 97.0 %
Identity (ICP-OES): passes test

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pictograms

GHS06,GHS05

hcodes

H314,H330,H335

存储类别

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

signalword

Danger

pcodes

P260 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 1 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

supp_hazards

EUH014

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

危险化学品

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Titanium (IV) chloride-mediated ortho-acylation of phenols and naphthols

Bensari A and Zaveri NT

Synthesis, 2003(02), 0267-0271 (2003)

Transformation of Trifluorotoluenes Triggered by Titanium (IV) Chloride-Catalyzed Hydrodefluorination using Hydrosilanes

Yamada T, et al.

advanced synthesis and catalysis, 358(1), 62-66 (2016)